SCHEMBL6772103

SCHEMBL6772103

COc1cccc(C(=O)NCCCCn2cnc3c(N)nc(C)c(C)c32)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.51
DRD4 P21917 11/20 0.49
DRD2 P14416 9/20 0.49
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CCR3 P51677 1/20 0.45
DRD3 P35462 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6768483 0.87 DRD3 (0.44) DRD2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6769799 0.87 MCHR1 (0.50) MCHR1NAMPTGAADRD3
SCHEMBL6773548 0.86 HDAC3 (0.49) DRD4DRD2TP53MEN1KMT2A
SCHEMBL6779213 0.86 KMT2A (0.49) MCHR1NPC1HTTRAB9AHSD17B10
SCHEMBL14111995 0.86 DRD4 (0.52) MCHR1DRD4DRD2NPC1TP53
SCHEMBL6773542 0.85 TP53BP1 (0.48) DRD2NAMPTALDH1A1DRD3
SCHEMBL6779684 0.82 MCHR1 (0.50) MCHR1DRD4DRD2NPC1TP53
SCHEMBL6774052 0.82 POLB (0.43) DRD4DRD2NPC1TP53RAB9A
SCHEMBL6773439 0.81 TRPV1 (0.44) MCHR1NPC1RAB9A
SCHEMBL6891296 0.80 TP53 (0.50) NPC1TP53HTTRAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed